![3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one structure](/static/products/6805/680594-56-3.webp)
3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
TL;DR: 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one (CAS 680594-56-3) is a chemical compound with molecular formula C18H17F3N2O2 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
Also Known As: 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one, 3-[(Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one, 3-[3-(benzylamino)-4,4,4-trifluoro-but-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one, 4,6-Dimethyl-3-[(2Z)-4,4,4-trifluoro-1-oxo-3-[(phenylmethyl)amino]-2-buten-1-yl]-2(1H)-pyridinone
| Molecular Formula | C18H17F3N2O2 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.41044 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1242 |
| Heavy Atoms | 25 |
| Complexity | 852.8603 |
Chemical Identifiers
| CAS Number | 680594-56-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)C(=O)/C=C(/C(F)(F)F)\NCC2=CC=CC=C2)C |
Product Overview
3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one (CAS 680594-56-3), with molecular formula C18H17F3N2O2 and molecular weight 350.12 g/mol. IUPAC: 3-[(Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
Chemical Property Profile of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
Property Insights of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one
The XLogP value of 3.41044 indicates that 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one. Following Lipinski's Rule of Five, 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one?
The CAS number of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one is 680594-56-3.
What is the molecular formula of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one?
The molecular formula of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one is C18H17F3N2O2.
What is the molecular weight of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one?
The molecular weight of 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one is 350.12 g/mol.
Where can I buy 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one?
You can request a quote for 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2Z)-3-(benzylamino)-4,4,4-trifluorobut-2-enoyl]-4,6-dimethylpyridin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.